3-methyl-5-phenylheptan-4-amine

C14H23N — CID 105017445

IUPAC3-methyl-5-phenylheptan-4-amine
SMILESCCC(C)C(N)C(CC)c1ccccc1
InChIInChI=1S/C14H23N/c1-4-11(3)14(15)13(5-2)12-9-7-6-8-10-12/h6-11,13-14H,4-5,15H2,1-3H3
InChIKeySFPATOVFUASLTO-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.55
Rot. Bonds5

About 3-methyl-5-phenylheptan-4-amine

3-methyl-5-phenylheptan-4-amine (PubChem CID 105017445) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 3-methyl-5-phenylheptan-4-amine.

Molecular Properties

Compound Name3-methyl-5-phenylheptan-4-amine
PubChem CID105017445
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name3-methyl-5-phenylheptan-4-amine
SMILESCCC(C)C(N)C(CC)c1ccccc1
InChIInChI=1S/C14H23N/c1-4-11(3)14(15)13(5-2)12-9-7-6-8-10-12/h6-11,13-14H,4-5,15H2,1-3H3
InChIKeySFPATOVFUASLTO-UHFFFAOYSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3-phenylpentan-2-ol
CID 45048673
[(2S)-1,1-diphenylbutan-2-yl]benzene
CID 101326862
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
(4-bromo-5-methylhexan-3-yl)benzene
CID 79298678
2-phenylpentane-1,3-diamine
CID 57298875
3-phenylpentan-2-yl carbamate
CID 70616482
1-methoxy-2-phenylpentan-3-amine
CID 103466357
N-ethyl-3-methyl-2-phenylpentan-1-amine
CID 43163708
5-phenylhept-2-en-4-amine
CID 174938173
amino 2,3-dimethyl-4-phenylhexanoate
CID 58946320
5-methyl-3-phenyloctan-4-ol
CID 107894691
5-phenylhept-1-en-4-amine
CID 115814558

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenylheptan-4-amine?
The IUPAC name of 3-methyl-5-phenylheptan-4-amine (CID 105017445) is 3-methyl-5-phenylheptan-4-amine.
What is the SMILES notation for 3-methyl-5-phenylheptan-4-amine?
The canonical SMILES for 3-methyl-5-phenylheptan-4-amine is CCC(C)C(N)C(CC)c1ccccc1.
What is the InChIKey of 3-methyl-5-phenylheptan-4-amine?
The InChIKey is SFPATOVFUASLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-11(3)14(15)13(5-2)12-9-7-6-8-10-12/h6-11,13-14H,4-5,15H2,1-3H3.
What are the key properties of 3-methyl-5-phenylheptan-4-amine?
3-methyl-5-phenylheptan-4-amine has a molecular weight of 205.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenylheptan-4-amine is sourced from PubChem (CID 105017445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).