1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine

C17H22N2 — CID 116936059

IUPAC1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine
SMILESCc1ccc2cc(C(N)CC3CCCN3)ccc2c1
InChIInChI=1S/C17H22N2/c1-12-4-5-14-10-15(7-6-13(14)9-12)17(18)11-16-3-2-8-19-16/h4-7,9-10,16-17,19H,2-3,8,11,18H2,1H3
InChIKeyDOOLFSAAPKTLNN-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.29
Rot. Bonds3

About 1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine

1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine (PubChem CID 116936059) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound Name1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine
PubChem CID116936059
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine
SMILESCc1ccc2cc(C(N)CC3CCCN3)ccc2c1
InChIInChI=1S/C17H22N2/c1-12-4-5-14-10-15(7-6-13(14)9-12)17(18)11-16-3-2-8-19-16/h4-7,9-10,16-17,19H,2-3,8,11,18H2,1H3
InChIKeyDOOLFSAAPKTLNN-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanamine
CID 116935942
2-pyrrolidin-2-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 116935941
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine
CID 116936043
1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine
CID 116936032
1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine
CID 116936276
6-(1-amino-2-pyrrolidin-2-ylethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116936028
N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine
CID 116950987
1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559902
2-morpholin-3-yl-1-naphthalen-2-ylethanamine
CID 116941547
(2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine
CID 102820293
N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 106607339
1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine
CID 116936006

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine?
The IUPAC name of 1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine (CID 116936059) is 1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine.
What is the SMILES notation for 1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine?
The canonical SMILES for 1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine is Cc1ccc2cc(C(N)CC3CCCN3)ccc2c1.
What is the InChIKey of 1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine?
The InChIKey is DOOLFSAAPKTLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-12-4-5-14-10-15(7-6-13(14)9-12)17(18)11-16-3-2-8-19-16/h4-7,9-10,16-17,19H,2-3,8,11,18H2,1H3.
What are the key properties of 1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine?
1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine has a molecular weight of 254.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylnaphthalen-2-yl)-2-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 116936059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).