N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine

C19H32N2 — CID 105347778

IUPACN-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
SMILESCCN(Cc1ccc(CCNC(C)(C)C)cc1)CC1CC1
InChIInChI=1S/C19H32N2/c1-5-21(15-18-10-11-18)14-17-8-6-16(7-9-17)12-13-20-19(2,3)4/h6-9,18,20H,5,10-15H2,1-4H3
InChIKeyGQHSTUABBIOYHX-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.85
Rot. Bonds8

About N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine

N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine (PubChem CID 105347778) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
PubChem CID105347778
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
SMILESCCN(Cc1ccc(CCNC(C)(C)C)cc1)CC1CC1
InChIInChI=1S/C19H32N2/c1-5-21(15-18-10-11-18)14-17-8-6-16(7-9-17)12-13-20-19(2,3)4/h6-9,18,20H,5,10-15H2,1-4H3
InChIKeyGQHSTUABBIOYHX-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 63939704
N-[2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347152
N-[2-[4-[[cyclobutylmethyl(ethyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 107402138
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 105346845
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 105346683
N-[2-[4-(diethylaminomethyl)phenyl]ethyl]cyclopropanamine
CID 105346462
4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile
CID 63957000
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine
CID 105346870
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63939310
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
CID 105347790
N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine
CID 107398077
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346738

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine (CID 105347778) is N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine is CCN(Cc1ccc(CCNC(C)(C)C)cc1)CC1CC1.
What is the InChIKey of N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is GQHSTUABBIOYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-21(15-18-10-11-18)14-17-8-6-16(7-9-17)12-13-20-19(2,3)4/h6-9,18,20H,5,10-15H2,1-4H3.
What are the key properties of N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine?
N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 105347778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).