N-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine

C16H26N2O — CID 103464122

IUPACN-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCOCC(NC(C)CN1CCCC1)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-14(12-18-10-6-7-11-18)17-16(13-19-2)15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3
InChIKeyYRRHAOMVEIUMQQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds7

About N-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine

N-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 103464122) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID103464122
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCOCC(NC(C)CN1CCCC1)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-14(12-18-10-6-7-11-18)17-16(13-19-2)15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3
InChIKeyYRRHAOMVEIUMQQ-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-1-phenylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 103913589
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604
3-N-(2-methoxy-1-phenylethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 104864587
(1R)-N-ethyl-1-phenyl-2-pyrrolidin-1-ylethanamine;molecular hydrogen
CID 143114287
(1R)-N-(2-ethoxyethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 89003231
N-(2-methoxy-1-phenylethyl)-1-phenylbutan-1-amine
CID 103902246
N-[[3-(2-methylpropoxy)phenyl]-phenylmethyl]-1-pyrrolidin-1-ylpropan-2-amine;hydrochloride
CID 70425785
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
(2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol
CID 101092421
(1S)-N-benzyl-1-phenyl-2-piperidin-1-ylethanamine
CID 11254892
2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol
CID 61471961
1-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)propan-1-amine
CID 43749137

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine (CID 103464122) is N-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine is COCC(NC(C)CN1CCCC1)c1ccccc1.
What is the InChIKey of N-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is YRRHAOMVEIUMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(12-18-10-6-7-11-18)17-16(13-19-2)15-8-4-3-5-9-15/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3.
What are the key properties of N-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine?
N-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-1-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 103464122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).