N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine

C14H23NO — CID 62530770

IUPACN-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
SMILESCCNCC(CC)Cc1cccc(OC)c1
InChIInChI=1S/C14H23NO/c1-4-12(11-15-5-2)9-13-7-6-8-14(10-13)16-3/h6-8,10,12,15H,4-5,9,11H2,1-3H3
InChIKeyYDNUHNCOEWNLKD-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.87
Rot. Bonds7

About N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine

N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine (PubChem CID 62530770) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
PubChem CID62530770
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
SMILESCCNCC(CC)Cc1cccc(OC)c1
InChIInChI=1S/C14H23NO/c1-4-12(11-15-5-2)9-13-7-6-8-14(10-13)16-3/h6-8,10,12,15H,4-5,9,11H2,1-3H3
InChIKeyYDNUHNCOEWNLKD-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 55210216
5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine
CID 65180749
N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053022
N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(5-methyloxolan-2-yl)propan-1-amine
CID 103138315
N-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine
CID 55072812
2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63521216
N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55083297
2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine
CID 79436045
2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83148145
1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine
CID 62999781

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine?
The IUPAC name of N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine (CID 62530770) is N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine?
The canonical SMILES for N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine is CCNCC(CC)Cc1cccc(OC)c1.
What is the InChIKey of N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine?
The InChIKey is YDNUHNCOEWNLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-12(11-15-5-2)9-13-7-6-8-14(10-13)16-3/h6-8,10,12,15H,4-5,9,11H2,1-3H3.
What are the key properties of N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine?
N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 62530770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).