2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine

C19H32N2 — CID 105347782

IUPAC2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine
SMILESCCN(Cc1ccc(C(C)CNC(C)C)cc1)CC1CC1
InChIInChI=1S/C19H32N2/c1-5-21(13-17-6-7-17)14-18-8-10-19(11-9-18)16(4)12-20-15(2)3/h8-11,15-17,20H,5-7,12-14H2,1-4H3
InChIKeyYMIIGMSVOZIHAM-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds9

About 2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine

2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine (PubChem CID 105347782) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine
PubChem CID105347782
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine
SMILESCCN(Cc1ccc(C(C)CNC(C)C)cc1)CC1CC1
InChIInChI=1S/C19H32N2/c1-5-21(13-17-6-7-17)14-18-8-10-19(11-9-18)16(4)12-20-15(2)3/h8-11,15-17,20H,5-7,12-14H2,1-4H3
InChIKeyYMIIGMSVOZIHAM-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]-N-ethylpropan-1-amine
CID 105347314
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63939310
N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 63940458
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63939704
N-[2-[4-[[ethyl(2-methoxyethyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105347393
N-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine
CID 105346468
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
CID 43383869
4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile
CID 63957000
N-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 107402138
N-methyl-N-[[4-[1-(propan-2-ylamino)propan-2-yl]phenyl]methyl]pentan-1-amine
CID 105346938
N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347778
2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine
CID 105348064

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine (CID 105347782) is 2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine is CCN(Cc1ccc(C(C)CNC(C)C)cc1)CC1CC1.
What is the InChIKey of 2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine?
The InChIKey is YMIIGMSVOZIHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-21(13-17-6-7-17)14-18-8-10-19(11-9-18)16(4)12-20-15(2)3/h8-11,15-17,20H,5-7,12-14H2,1-4H3.
What are the key properties of 2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine?
2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 105347782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).