1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine

C18H30N2 — CID 115707907

IUPAC1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine
SMILESCCN(CC)Cc1ccc(CNC(C)CC2CC2)cc1
InChIInChI=1S/C18H30N2/c1-4-20(5-2)14-18-10-8-17(9-11-18)13-19-15(3)12-16-6-7-16/h8-11,15-16,19H,4-7,12-14H2,1-3H3
InChIKeyGZBGBSAYMWKFCK-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.81
Rot. Bonds9

About 1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine

1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine (PubChem CID 115707907) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine
PubChem CID115707907
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine
SMILESCCN(CC)Cc1ccc(CNC(C)CC2CC2)cc1
InChIInChI=1S/C18H30N2/c1-4-20(5-2)14-18-10-8-17(9-11-18)13-19-15(3)12-16-6-7-16/h8-11,15-16,19H,4-7,12-14H2,1-3H3
InChIKeyGZBGBSAYMWKFCK-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine
CID 43770019
N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63939310
1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine
CID 63988276
N-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine
CID 28550265
N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine
CID 62070861
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylpropan-2-amine
CID 106816843
N-[[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62420492
4-[(1-cyclopropylpropan-2-ylamino)methyl]-2-fluorophenol
CID 115722404
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 81145628
1-cyclopropyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-2-amine
CID 63988275
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63939704

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine (CID 115707907) is 1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine is CCN(CC)Cc1ccc(CNC(C)CC2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine?
The InChIKey is GZBGBSAYMWKFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-20(5-2)14-18-10-8-17(9-11-18)13-19-15(3)12-16-6-7-16/h8-11,15-16,19H,4-7,12-14H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine?
1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 115707907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).