(3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine

C16H24N2 — CID 141253180

IUPAC(3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESCCC(CC[C@H]1C=C(N)NC1)c1cccc(C)c1
InChIInChI=1S/C16H24N2/c1-3-14(15-6-4-5-12(2)9-15)8-7-13-10-16(17)18-11-13/h4-6,9-10,13-14,18H,3,7-8,11,17H2,1-2H3/t13-,14?/m0/s1
InChIKeyUSRRQQGWQWYVDN-LSLKUGRBSA-N
MW244.38 g/mol
LogP3.29
Rot. Bonds5

About (3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine

(3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine (PubChem CID 141253180) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine.

Molecular Properties

Compound Name(3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine
PubChem CID141253180
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine
SMILESCCC(CC[C@H]1C=C(N)NC1)c1cccc(C)c1
InChIInChI=1S/C16H24N2/c1-3-14(15-6-4-5-12(2)9-15)8-7-13-10-16(17)18-11-13/h4-6,9-10,13-14,18H,3,7-8,11,17H2,1-2H3/t13-,14?/m0/s1
InChIKeyUSRRQQGWQWYVDN-LSLKUGRBSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[2-(3-chlorophenyl)butyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141332997
3-(3-methylphenyl)pentan-1-amine
CID 82074944
(3S)-3-[2-[4-(trifluoromethyl)phenyl]butyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141332995
(3-ethyl-1,4-dithian-2-yl)-(3-methylphenyl)methanamine
CID 113299656
1-methyl-3-[1-[2-(3-methylphenyl)butoxy]butan-2-yl]benzene
CID 139620258
1-(1-chloropentan-2-yl)-3-methylbenzene
CID 79417033
4-amino-2-(3-methylphenyl)butan-1-ol
CID 115015469
3-bicyclo[3.1.0]hexanyl-(3-methylphenyl)methanamine
CID 115790226
1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol
CID 106667892
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine?
The IUPAC name of (3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine (CID 141253180) is (3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine.
What is the SMILES notation for (3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine?
The canonical SMILES for (3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine is CCC(CC[C@H]1C=C(N)NC1)c1cccc(C)c1.
What is the InChIKey of (3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine?
The InChIKey is USRRQQGWQWYVDN-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-14(15-6-4-5-12(2)9-15)8-7-13-10-16(17)18-11-13/h4-6,9-10,13-14,18H,3,7-8,11,17H2,1-2H3/t13-,14?/m0/s1.
What are the key properties of (3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine?
(3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine has a molecular weight of 244.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-(3-methylphenyl)pentyl]-2,3-dihydro-1H-pyrrol-5-amine is sourced from PubChem (CID 141253180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).