N-methyl-3-(2-phenylethoxy)pentan-1-amine

C14H23NO — CID 142009741

IUPACN-methyl-3-(2-phenylethoxy)pentan-1-amine
SMILESCCC(CCNC)OCCc1ccccc1
InChIInChI=1S/C14H23NO/c1-3-14(9-11-15-2)16-12-10-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3
InChIKeyHSAZCAFBGQHAJH-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.63
Rot. Bonds8

About N-methyl-3-(2-phenylethoxy)pentan-1-amine

N-methyl-3-(2-phenylethoxy)pentan-1-amine (PubChem CID 142009741) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-methyl-3-(2-phenylethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2-phenylethoxy)pentan-1-amine
PubChem CID142009741
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-methyl-3-(2-phenylethoxy)pentan-1-amine
SMILESCCC(CCNC)OCCc1ccccc1
InChIInChI=1S/C14H23NO/c1-3-14(9-11-15-2)16-12-10-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3
InChIKeyHSAZCAFBGQHAJH-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115002161
N-methyl-2-(3-phenylpropoxy)pentan-1-amine
CID 83045802
2-(1-butoxypropoxy)ethylbenzene
CID 71445945
N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine
CID 115001394
N-methylmethanamine;N-methyl-2-phenylethanamine
CID 22563284
N,3-dimethyl-6-phenylhexan-1-amine
CID 81012432
hexan-3-yloxymethylbenzene
CID 20782034
1-(2-phenylethoxy)propane-1,2-diol
CID 140994820
N-[2-(2-phenylethoxy)propyl]butan-2-amine
CID 115002170
N-methyl-2-phenylethanamine;ytterbium(3+);trifluoride
CID 175294830
lithium;hydride;N-methyl-2-phenylethanamine
CID 174675590
2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene
CID 68855173

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-phenylethoxy)pentan-1-amine?
The IUPAC name of N-methyl-3-(2-phenylethoxy)pentan-1-amine (CID 142009741) is N-methyl-3-(2-phenylethoxy)pentan-1-amine.
What is the SMILES notation for N-methyl-3-(2-phenylethoxy)pentan-1-amine?
The canonical SMILES for N-methyl-3-(2-phenylethoxy)pentan-1-amine is CCC(CCNC)OCCc1ccccc1.
What is the InChIKey of N-methyl-3-(2-phenylethoxy)pentan-1-amine?
The InChIKey is HSAZCAFBGQHAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-14(9-11-15-2)16-12-10-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3.
What are the key properties of N-methyl-3-(2-phenylethoxy)pentan-1-amine?
N-methyl-3-(2-phenylethoxy)pentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-phenylethoxy)pentan-1-amine is sourced from PubChem (CID 142009741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).