(2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine

C13H19N — CID 124706723

IUPAC(2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine
SMILESC=CC[C@@H](CN)Cc1ccc(C)cc1
InChIInChI=1S/C13H19N/c1-3-4-13(10-14)9-12-7-5-11(2)6-8-12/h3,5-8,13H,1,4,9-10,14H2,2H3/t13-/m1/s1
InChIKeyFTGNMLVDKHIOCX-CYBMUJFWSA-N
MW189.30 g/mol
LogP2.69
Rot. Bonds5

About (2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine

(2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine (PubChem CID 124706723) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine.

Molecular Properties

Compound Name(2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine
PubChem CID124706723
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine
SMILESC=CC[C@@H](CN)Cc1ccc(C)cc1
InChIInChI=1S/C13H19N/c1-3-4-13(10-14)9-12-7-5-11(2)6-8-12/h3,5-8,13H,1,4,9-10,14H2,2H3/t13-/m1/s1
InChIKeyFTGNMLVDKHIOCX-CYBMUJFWSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-3-(4-methylphenyl)propan-1-amine
CID 62504695
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62505527
2-(aminomethyl)-3-(4-methylphenyl)propanal
CID 135220119
2-[(4-methylphenyl)methyl]heptan-1-amine
CID 62503996
2-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496513
2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 82930150
2-[(2,5-dimethylphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496149
3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
CID 62504004
(2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine
CID 129393015
2-[2-(4-methylphenyl)ethyl]propane-1,3-diamine
CID 83930827
4-ethyl-2-[(4-methylphenyl)methyl]octan-1-amine
CID 55195254

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine?
The IUPAC name of (2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine (CID 124706723) is (2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine.
What is the SMILES notation for (2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine?
The canonical SMILES for (2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine is C=CC[C@@H](CN)Cc1ccc(C)cc1.
What is the InChIKey of (2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine?
The InChIKey is FTGNMLVDKHIOCX-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19N/c1-3-4-13(10-14)9-12-7-5-11(2)6-8-12/h3,5-8,13H,1,4,9-10,14H2,2H3/t13-/m1/s1.
What are the key properties of (2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine?
(2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methylphenyl)methyl]pent-4-en-1-amine is sourced from PubChem (CID 124706723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).