N-(1-cyclopropylethyl)-2-phenylbutan-1-amine

C15H23N — CID 115676258

IUPACN-(1-cyclopropylethyl)-2-phenylbutan-1-amine
SMILESCCC(CNC(C)C1CC1)c1ccccc1
InChIInChI=1S/C15H23N/c1-3-13(15-7-5-4-6-8-15)11-16-12(2)14-9-10-14/h4-8,12-14,16H,3,9-11H2,1-2H3
InChIKeyPTNKUQMIXZWLKQ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.57
Rot. Bonds6

About N-(1-cyclopropylethyl)-2-phenylbutan-1-amine

N-(1-cyclopropylethyl)-2-phenylbutan-1-amine (PubChem CID 115676258) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-phenylbutan-1-amine
PubChem CID115676258
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-(1-cyclopropylethyl)-2-phenylbutan-1-amine
SMILESCCC(CNC(C)C1CC1)c1ccccc1
InChIInChI=1S/C15H23N/c1-3-13(15-7-5-4-6-8-15)11-16-12(2)14-9-10-14/h4-8,12-14,16H,3,9-11H2,1-2H3
InChIKeyPTNKUQMIXZWLKQ-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine
CID 43192161
1-N-cyclopropyl-2-N-(2-phenylbutyl)propane-1,2-diamine
CID 113407445
N-(1-cyclopropylethyl)-1-phenylpropan-1-amine
CID 43533329
N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876302
N-(2-phenylbutyl)cyclopentanamine
CID 60664890
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine
CID 113259795
N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876129
2-cyclopropyl-N-(1-phenylethyl)propan-1-amine
CID 115638910
N-(1-cyclopropylethyl)-2-phenylsulfanylpropan-1-amine
CID 115677395
1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol
CID 54938755
4-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
CID 65430791

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-phenylbutan-1-amine?
The IUPAC name of N-(1-cyclopropylethyl)-2-phenylbutan-1-amine (CID 115676258) is N-(1-cyclopropylethyl)-2-phenylbutan-1-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-phenylbutan-1-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-2-phenylbutan-1-amine is CCC(CNC(C)C1CC1)c1ccccc1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-phenylbutan-1-amine?
The InChIKey is PTNKUQMIXZWLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-13(15-7-5-4-6-8-15)11-16-12(2)14-9-10-14/h4-8,12-14,16H,3,9-11H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-2-phenylbutan-1-amine?
N-(1-cyclopropylethyl)-2-phenylbutan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-phenylbutan-1-amine is sourced from PubChem (CID 115676258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).