(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-en-1-amine

C19H23NO — CID 118204778

IUPAC(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-en-1-amine
SMILESC=C[C@@H](c1cccc(OCc2ccccc2)c1)[C@@H](C)CN
InChIInChI=1S/C19H23NO/c1-3-19(15(2)13-20)17-10-7-11-18(12-17)21-14-16-8-5-4-6-9-16/h3-12,15,19H,1,13-14,20H2,2H3/t15-,19+/m0/s1
InChIKeyPQOXINFLZISIPC-HNAYVOBHSA-N
MW281.40 g/mol
LogP4.13
Rot. Bonds7

About (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-en-1-amine

(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-en-1-amine (PubChem CID 118204778) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-en-1-amine.

Molecular Properties

Compound Name(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-en-1-amine
PubChem CID118204778
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-en-1-amine
SMILESC=C[C@@H](c1cccc(OCc2ccccc2)c1)[C@@H](C)CN
InChIInChI=1S/C19H23NO/c1-3-19(15(2)13-20)17-10-7-11-18(12-17)21-14-16-8-5-4-6-9-16/h3-12,15,19H,1,13-14,20H2,2H3/t15-,19+/m0/s1
InChIKeyPQOXINFLZISIPC-HNAYVOBHSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide
CID 118204605
(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid
CID 71623405
(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine
CID 171211251
(1S)-3-methyl-1-(3-phenylmethoxyphenyl)butan-1-amine;hydrochloride
CID 171230868
3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
CID 83973248
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
CID 139719271
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
(2R)-2-amino-2-(3-phenylmethoxyphenyl)ethanol
CID 66515455
(1S)-1-(3-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171230857
(1R)-1-(3-phenylmethoxyphenyl)pentane-1,5-diamine
CID 171211255
3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enal
CID 161278873

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-en-1-amine?
The IUPAC name of (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-en-1-amine (CID 118204778) is (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-en-1-amine.
What is the SMILES notation for (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-en-1-amine?
The canonical SMILES for (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-en-1-amine is C=C[C@@H](c1cccc(OCc2ccccc2)c1)[C@@H](C)CN.
What is the InChIKey of (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-en-1-amine?
The InChIKey is PQOXINFLZISIPC-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-19(15(2)13-20)17-10-7-11-18(12-17)21-14-16-8-5-4-6-9-16/h3-12,15,19H,1,13-14,20H2,2H3/t15-,19+/m0/s1.
What are the key properties of (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-en-1-amine?
(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-en-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-en-1-amine is sourced from PubChem (CID 118204778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).