N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine

C18H30N2O — CID 105351121

IUPACN-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine
SMILESCN(C)C(C)(C)COCc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C18H30N2O/c1-18(2,20(3)4)14-21-13-16-7-5-15(6-8-16)11-12-19-17-9-10-17/h5-8,17,19H,9-14H2,1-4H3
InChIKeyDUUMQSGUZWOCDQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.84
Rot. Bonds9

About N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine

N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine (PubChem CID 105351121) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine
PubChem CID105351121
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine
SMILESCN(C)C(C)(C)COCc1ccc(CCNC2CC2)cc1
InChIInChI=1S/C18H30N2O/c1-18(2,20(3)4)14-21-13-16-7-5-15(6-8-16)11-12-19-17-9-10-17/h5-8,17,19H,9-14H2,1-4H3
InChIKeyDUUMQSGUZWOCDQ-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
1-[[4-[(tert-butylamino)methyl]phenyl]methoxy]-N,N,2-trimethylpropan-2-amine
CID 79670044
N-[2-[4-[[methyl(2-methylpropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105346897
4-[2-[(4-tert-butylcyclohexyl)amino]ethyl]phenol
CID 61239240
N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine
CID 105346462
N-[2-[4-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 105349289
N-[2-[4-(1-methoxypropan-2-yloxymethyl)phenyl]ethyl]cyclopropanamine
CID 105350970
N-[2-[4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105347883
N-[2-[4-[(2-methylphenoxy)methyl]phenyl]ethyl]cyclopropanamine
CID 105350594
N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
CID 62114541
N-[2-[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 105348031
N-[2-[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine
CID 106598409

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine (CID 105351121) is N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine is CN(C)C(C)(C)COCc1ccc(CCNC2CC2)cc1.
What is the InChIKey of N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is DUUMQSGUZWOCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-18(2,20(3)4)14-21-13-16-7-5-15(6-8-16)11-12-19-17-9-10-17/h5-8,17,19H,9-14H2,1-4H3.
What are the key properties of N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine?
N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine has a molecular weight of 290.45 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[2-(dimethylamino)-2-methylpropoxy]methyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 105351121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).