N-[[2-[amino(phenyl)methyl]phenyl]methyl]propan-2-amine

C17H22N2 — CID 14978242

IUPACN-[[2-[amino(phenyl)methyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1C(N)c1ccccc1
InChIInChI=1S/C17H22N2/c1-13(2)19-12-15-10-6-7-11-16(15)17(18)14-8-4-3-5-9-14/h3-11,13,17,19H,12,18H2,1-2H3
InChIKeyJXJCMCIMPDXTSR-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.23
Rot. Bonds5

About N-[[2-[amino(phenyl)methyl]phenyl]methyl]propan-2-amine

N-[[2-[amino(phenyl)methyl]phenyl]methyl]propan-2-amine (PubChem CID 14978242) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[[2-[amino(phenyl)methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[amino(phenyl)methyl]phenyl]methyl]propan-2-amine
PubChem CID14978242
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[[2-[amino(phenyl)methyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1C(N)c1ccccc1
InChIInChI=1S/C17H22N2/c1-13(2)19-12-15-10-6-7-11-16(15)17(18)14-8-4-3-5-9-14/h3-11,13,17,19H,12,18H2,1-2H3
InChIKeyJXJCMCIMPDXTSR-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl)-[2-(methylaminomethyl)phenyl]methanamine
CID 14978247
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
(2-methylphenyl)-phenylmethanamine
CID 15254157
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine
CID 63809900
N-phenyl-2-[(propan-2-ylamino)methyl]aniline
CID 15175680
N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine
CID 70450840
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
2-[(1-phenylethylamino)methyl]phenol
CID 3669487
2-[(1-aminoethylamino)methyl]phenol
CID 67733562
N-benzylpropan-2-amine;cumene;methane;yttrium
CID 159029176
N-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]methyl]propan-2-amine
CID 153302381

Frequently Asked Questions

What is the IUPAC name of N-[[2-[amino(phenyl)methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[amino(phenyl)methyl]phenyl]methyl]propan-2-amine (CID 14978242) is N-[[2-[amino(phenyl)methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[amino(phenyl)methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[amino(phenyl)methyl]phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1C(N)c1ccccc1.
What is the InChIKey of N-[[2-[amino(phenyl)methyl]phenyl]methyl]propan-2-amine?
The InChIKey is JXJCMCIMPDXTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13(2)19-12-15-10-6-7-11-16(15)17(18)14-8-4-3-5-9-14/h3-11,13,17,19H,12,18H2,1-2H3.
What are the key properties of N-[[2-[amino(phenyl)methyl]phenyl]methyl]propan-2-amine?
N-[[2-[amino(phenyl)methyl]phenyl]methyl]propan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[amino(phenyl)methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 14978242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).