N-(1-phenylethyl)propan-1-amine;hydrochloride

C11H18ClN — CID 16641251

IUPACN-(1-phenylethyl)propan-1-amine;hydrochloride
SMILESCCCNC(C)c1ccccc1.Cl
InChIInChI=1S/C11H17N.ClH/c1-3-9-12-10(2)11-7-5-4-6-8-11;/h4-8,10,12H,3,9H2,1-2H3;1H
InChIKeyMWFQDURQIBCXNP-UHFFFAOYSA-N
MW199.73 g/mol
LogP3.17
Rot. Bonds4

About N-(1-phenylethyl)propan-1-amine;hydrochloride

N-(1-phenylethyl)propan-1-amine;hydrochloride (PubChem CID 16641251) has the molecular formula C11H18ClN and a molecular weight of 199.73 g/mol. Its IUPAC name is N-(1-phenylethyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(1-phenylethyl)propan-1-amine;hydrochloride
PubChem CID16641251
Molecular FormulaC11H18ClN
Molecular Weight199.73 g/mol
Exact Mass199.11
IUPAC NameN-(1-phenylethyl)propan-1-amine;hydrochloride
SMILESCCCNC(C)c1ccccc1.Cl
InChIInChI=1S/C11H17N.ClH/c1-3-9-12-10(2)11-7-5-4-6-8-11;/h4-8,10,12H,3,9H2,1-2H3;1H
InChIKeyMWFQDURQIBCXNP-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.73
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 173151807
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
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N-[(1R)-1-phenylethyl]heptan-1-amine
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(1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride
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N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
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N-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine
CID 54806910
3-phenyl-N-(1-phenylethyl)hexan-1-amine
CID 139750954
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
3-[1-(propylamino)ethyl]benzenethiol
CID 64666341
3-phenyl-N-propylpentan-2-amine
CID 66438754

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)propan-1-amine;hydrochloride?
The IUPAC name of N-(1-phenylethyl)propan-1-amine;hydrochloride (CID 16641251) is N-(1-phenylethyl)propan-1-amine;hydrochloride.
What is the SMILES notation for N-(1-phenylethyl)propan-1-amine;hydrochloride?
The canonical SMILES for N-(1-phenylethyl)propan-1-amine;hydrochloride is CCCNC(C)c1ccccc1.Cl.
What is the InChIKey of N-(1-phenylethyl)propan-1-amine;hydrochloride?
The InChIKey is MWFQDURQIBCXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.ClH/c1-3-9-12-10(2)11-7-5-4-6-8-11;/h4-8,10,12H,3,9H2,1-2H3;1H.
What are the key properties of N-(1-phenylethyl)propan-1-amine;hydrochloride?
N-(1-phenylethyl)propan-1-amine;hydrochloride has a molecular weight of 199.73 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 16641251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).