N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride

C13H22ClN — CID 22831493

IUPACN-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride
SMILESCCC(CC)N[C@H](C)c1ccccc1.Cl
InChIInChI=1S/C13H21N.ClH/c1-4-13(5-2)14-11(3)12-9-7-6-8-10-12;/h6-11,13-14H,4-5H2,1-3H3;1H/t11-;/m1./s1
InChIKeyRKPRPVRHVBFULB-RFVHGSKJSA-N
MW227.78 g/mol
LogP3.95
Rot. Bonds5

About N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride

N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride (PubChem CID 22831493) has the molecular formula C13H22ClN and a molecular weight of 227.78 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride
PubChem CID22831493
Molecular FormulaC13H22ClN
Molecular Weight227.78 g/mol
Exact Mass227.14
IUPAC NameN-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride
SMILESCCC(CC)N[C@H](C)c1ccccc1.Cl
InChIInChI=1S/C13H21N.ClH/c1-4-13(5-2)14-11(3)12-9-7-6-8-10-12;/h6-11,13-14H,4-5H2,1-3H3;1H/t11-;/m1./s1
InChIKeyRKPRPVRHVBFULB-RFVHGSKJSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.78
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride
CID 22831491
3-ethyl-N-(1-phenylethyl)pentan-2-amine
CID 63843790
N-(1-naphthalen-2-ylethyl)pentan-3-amine
CID 43100971
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43712916
N-(1-phenylethyl)hexan-2-amine
CID 43755937
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-2-amine
CID 81354706
5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine
CID 81350765
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
(2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine
CID 52908228
(2R)-2-[[(1S)-1-phenylethyl]amino]butane-1,4-diol
CID 14041040

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride?
The IUPAC name of N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride (CID 22831493) is N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride.
What is the SMILES notation for N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride?
The canonical SMILES for N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride is CCC(CC)N[C@H](C)c1ccccc1.Cl.
What is the InChIKey of N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride?
The InChIKey is RKPRPVRHVBFULB-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H21N.ClH/c1-4-13(5-2)14-11(3)12-9-7-6-8-10-12;/h6-11,13-14H,4-5H2,1-3H3;1H/t11-;/m1./s1.
What are the key properties of N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride?
N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride has a molecular weight of 227.78 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride is sourced from PubChem (CID 22831493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).