N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine

C18H30N2 — CID 61472079

IUPACN-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCCCc1ccc(C(C)NC(C)CN2CCCC2)cc1
InChIInChI=1S/C18H30N2/c1-4-7-17-8-10-18(11-9-17)16(3)19-15(2)14-20-12-5-6-13-20/h8-11,15-16,19H,4-7,12-14H2,1-3H3
InChIKeyCYSPAJJXGPQJKL-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.77
Rot. Bonds7

About N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine

N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 61472079) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID61472079
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCCCc1ccc(C(C)NC(C)CN2CCCC2)cc1
InChIInChI=1S/C18H30N2/c1-4-7-17-8-10-18(11-9-17)16(3)19-15(2)14-20-12-5-6-13-20/h8-11,15-16,19H,4-7,12-14H2,1-3H3
InChIKeyCYSPAJJXGPQJKL-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749138
N-[1-(4-nitrophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749027
1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine
CID 86809048
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471655
N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine
CID 43109909
(2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 113352326
4-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)butyl]phenol
CID 61471809
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 83076160
N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749141
2-[1-(4-propylphenyl)ethylamino]propanoic acid
CID 54959765
N-[1-(4-butylphenyl)ethyl]piperidin-1-amine
CID 83006590
N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43779473

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine (CID 61472079) is N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine is CCCc1ccc(C(C)NC(C)CN2CCCC2)cc1.
What is the InChIKey of N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is CYSPAJJXGPQJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-7-17-8-10-18(11-9-17)16(3)19-15(2)14-20-12-5-6-13-20/h8-11,15-16,19H,4-7,12-14H2,1-3H3.
What are the key properties of N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 61472079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).