2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine

C19H28N2 — CID 159334217

IUPAC2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine
SMILESCC(C)C(N)c1ccccc1.CCC(N)c1ccccc1
InChIInChI=1S/C10H15N.C9H13N/c1-8(2)10(11)9-6-4-3-5-7-9;1-2-9(10)8-6-4-3-5-7-8/h3-8,10H,11H2,1-2H3;3-7,9H,2,10H2,1H3
InChIKeyLFIAXLNIFBEYGJ-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.44
Rot. Bonds4

About 2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine

2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine (PubChem CID 159334217) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine
PubChem CID159334217
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine
SMILESCC(C)C(N)c1ccccc1.CCC(N)c1ccccc1
InChIInChI=1S/C10H15N.C9H13N/c1-8(2)10(11)9-6-4-3-5-7-9;1-2-9(10)8-6-4-3-5-7-8/h3-8,10H,11H2,1-2H3;3-7,9H,2,10H2,1H3
InChIKeyLFIAXLNIFBEYGJ-UHFFFAOYSA-N
XLogP4.44
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine
CID 78960186
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
(1S)-1-(4-benzylphenyl)propan-1-amine
CID 79018348
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
(1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one
CID 160648144
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
2-N-butan-2-yl-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
CID 43274486
2-phenoxy-1-phenylbutan-1-amine
CID 43211594
2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine
CID 43295709
(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine?
The IUPAC name of 2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine (CID 159334217) is 2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine.
What is the SMILES notation for 2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine?
The canonical SMILES for 2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine is CC(C)C(N)c1ccccc1.CCC(N)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine?
The InChIKey is LFIAXLNIFBEYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H13N/c1-8(2)10(11)9-6-4-3-5-7-9;1-2-9(10)8-6-4-3-5-7-8/h3-8,10H,11H2,1-2H3;3-7,9H,2,10H2,1H3.
What are the key properties of 2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine?
2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine has a molecular weight of 284.45 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine is sourced from PubChem (CID 159334217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).