N-[1-(3-propylphenyl)ethyl]propan-1-amine

C14H23N — CID 116544021

IUPACN-[1-(3-propylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(CCC)c1
InChIInChI=1S/C14H23N/c1-4-7-13-8-6-9-14(11-13)12(3)15-10-5-2/h6,8-9,11-12,15H,4-5,7,10H2,1-3H3
InChIKeyBOXQIIKLAATQSO-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.70
Rot. Bonds6

About N-[1-(3-propylphenyl)ethyl]propan-1-amine

N-[1-(3-propylphenyl)ethyl]propan-1-amine (PubChem CID 116544021) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-[1-(3-propylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-propylphenyl)ethyl]propan-1-amine
PubChem CID116544021
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-[1-(3-propylphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(CCC)c1
InChIInChI=1S/C14H23N/c1-4-7-13-8-6-9-14(11-13)12(3)15-10-5-2/h6,8-9,11-12,15H,4-5,7,10H2,1-3H3
InChIKeyBOXQIIKLAATQSO-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
3-[1-(propylamino)ethyl]benzenethiol
CID 64666341
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116543927
N-[2-propoxy-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544166
1-(3-propylphenyl)ethanamine
CID 116543909
2-ethoxy-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116717137
N-[1-[2-(3-propylphenyl)phenyl]ethyl]propan-1-amine
CID 116545311
N',N'-dimethyl-N-propyl-1-(3-propylphenyl)propane-1,3-diamine
CID 116544972
[3-[1-(ethylamino)ethyl]phenyl]methanol
CID 115776701
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N,N-dipropyl-3-[1-(propylamino)ethyl]aniline
CID 79678790

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-propylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-propylphenyl)ethyl]propan-1-amine (CID 116544021) is N-[1-(3-propylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-propylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-propylphenyl)ethyl]propan-1-amine is CCCNC(C)c1cccc(CCC)c1.
What is the InChIKey of N-[1-(3-propylphenyl)ethyl]propan-1-amine?
The InChIKey is BOXQIIKLAATQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-7-13-8-6-9-14(11-13)12(3)15-10-5-2/h6,8-9,11-12,15H,4-5,7,10H2,1-3H3.
What are the key properties of N-[1-(3-propylphenyl)ethyl]propan-1-amine?
N-[1-(3-propylphenyl)ethyl]propan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-propylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 116544021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).