N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine

C18H30N2O — CID 63982071

IUPACN-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCCC(C)(C)N(C)Cc1cc(CNC2CC2)ccc1OC
InChIInChI=1S/C18H30N2O/c1-6-18(2,3)20(4)13-15-11-14(7-10-17(15)21-5)12-19-16-8-9-16/h7,10-11,16,19H,6,8-9,12-13H2,1-5H3
InChIKeyHMSSINIPWFIWHA-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.57
Rot. Bonds8

About N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine

N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine (PubChem CID 63982071) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
PubChem CID63982071
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCCC(C)(C)N(C)Cc1cc(CNC2CC2)ccc1OC
InChIInChI=1S/C18H30N2O/c1-6-18(2,3)20(4)13-15-11-14(7-10-17(15)21-5)12-19-16-8-9-16/h7,10-11,16,19H,6,8-9,12-13H2,1-5H3
InChIKeyHMSSINIPWFIWHA-UHFFFAOYSA-N
XLogP3.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-methoxy-3-[[methyl(pentan-3-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62017227
N-[[2-methoxy-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
CID 63982927
N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63965008
N-[[4-methoxy-3-[[methyl(pentyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62017224
N-[[3-(tert-butylsulfanylmethyl)-4-methoxyphenyl]methyl]cyclopropanamine
CID 64614472
N-[[3-[[1-cyclopropylethyl(methyl)amino]methyl]-4-methoxyphenyl]methyl]cyclopropanamine
CID 62019463
1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone
CID 63965306
N-[[2-[[methyl(2-methylbutan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 63967417
N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine
CID 114524710
1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60881124
N-[2-[2-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115464133
N-[2-(3-ethyl-4-methoxyphenyl)ethyl]cyclopropanamine
CID 94682821

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine (CID 63982071) is N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine is CCC(C)(C)N(C)Cc1cc(CNC2CC2)ccc1OC.
What is the InChIKey of N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is HMSSINIPWFIWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-18(2,3)20(4)13-15-11-14(7-10-17(15)21-5)12-19-16-8-9-16/h7,10-11,16,19H,6,8-9,12-13H2,1-5H3.
What are the key properties of N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine?
N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 290.45 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63982071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).