N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine

C18H32N2 — CID 115463756

IUPACN-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine
SMILESCCCC(C)N(C)Cc1ccccc1CCNC(C)C
InChIInChI=1S/C18H32N2/c1-6-9-16(4)20(5)14-18-11-8-7-10-17(18)12-13-19-15(2)3/h7-8,10-11,15-16,19H,6,9,12-14H2,1-5H3
InChIKeyIYNZBJWMXRMPDJ-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.85
Rot. Bonds9

About N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine

N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine (PubChem CID 115463756) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine
PubChem CID115463756
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine
SMILESCCCC(C)N(C)Cc1ccccc1CCNC(C)C
InChIInChI=1S/C18H32N2/c1-6-9-16(4)20(5)14-18-11-8-7-10-17(18)12-13-19-15(2)3/h7-8,10-11,15-16,19H,6,9,12-14H2,1-5H3
InChIKeyIYNZBJWMXRMPDJ-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-2-amine
CID 115463757
N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine
CID 62434377
N-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115463758
N,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine
CID 115463726
4-N-[(2-fluorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62437144
N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 115463579
N-[2-[2-(2-methylpentoxymethyl)phenyl]ethyl]propan-2-amine
CID 103285683
N-[2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]ethyl]propan-2-amine
CID 115463794
N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115464510
N-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine
CID 115463724
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 115463727
2-[[methyl(pentan-2-yl)amino]methyl]benzoic acid
CID 43572310

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine?
The IUPAC name of N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine (CID 115463756) is N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine.
What is the SMILES notation for N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine?
The canonical SMILES for N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine is CCCC(C)N(C)Cc1ccccc1CCNC(C)C.
What is the InChIKey of N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine?
The InChIKey is IYNZBJWMXRMPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-9-16(4)20(5)14-18-11-8-7-10-17(18)12-13-19-15(2)3/h7-8,10-11,15-16,19H,6,9,12-14H2,1-5H3.
What are the key properties of N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine?
N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine has a molecular weight of 276.47 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine is sourced from PubChem (CID 115463756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).