N-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine

C18H30N2O — CID 105348031

IUPACN-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine
SMILESCC(C)OCCN(C)Cc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C18H30N2O/c1-15(2)21-13-12-20(3)14-17-6-4-16(5-7-17)10-11-19-18-8-9-18/h4-7,15,18-19H,8-14H2,1-3H3
InChIKeyRRGOFAWZKMWJGQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.84
Rot. Bonds10

About N-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine

N-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine (PubChem CID 105348031) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine
PubChem CID105348031
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine
SMILESCC(C)OCCN(C)Cc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C18H30N2O/c1-15(2)21-13-12-20(3)14-17-6-4-16(5-7-17)10-11-19-18-8-9-18/h4-7,15,18-19H,8-14H2,1-3H3
InChIKeyRRGOFAWZKMWJGQ-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105346897
N-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105347883
N-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine
CID 174181431
N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 81067953
N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 81067967
N-cyclohexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 80709224
N-[2-[4-[[methyl(2-methylprop-2-enyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105348285
N-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine
CID 105350970
N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine
CID 105346462
N-cyclopropyl-N'-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55071227
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N-[2-(4-propan-2-ylsulfanylphenyl)ethyl]cyclopropanamine
CID 98014943

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine (CID 105348031) is N-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine is CC(C)OCCN(C)Cc1ccc(CCNC2CC2)cc1.
What is the InChIKey of N-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is RRGOFAWZKMWJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)21-13-12-20(3)14-17-6-4-16(5-7-17)10-11-19-18-8-9-18/h4-7,15,18-19H,8-14H2,1-3H3.
What are the key properties of N-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine?
N-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine has a molecular weight of 290.45 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 105348031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).