N-[(4-ethoxyphenyl)methyl]hexan-2-amine

C15H25NO — CID 62197866

IUPACN-[(4-ethoxyphenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1ccc(OCC)cc1
InChIInChI=1S/C15H25NO/c1-4-6-7-13(3)16-12-14-8-10-15(11-9-14)17-5-2/h8-11,13,16H,4-7,12H2,1-3H3
InChIKeyDIQDDTMEWSEGNZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.75
Rot. Bonds8

About N-[(4-ethoxyphenyl)methyl]hexan-2-amine

N-[(4-ethoxyphenyl)methyl]hexan-2-amine (PubChem CID 62197866) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]hexan-2-amine
PubChem CID62197866
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(4-ethoxyphenyl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1ccc(OCC)cc1
InChIInChI=1S/C15H25NO/c1-4-6-7-13(3)16-12-14-8-10-15(11-9-14)17-5-2/h8-11,13,16H,4-7,12H2,1-3H3
InChIKeyDIQDDTMEWSEGNZ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethoxyphenyl)methyl]octan-2-amine
CID 43220759
N-[(4-methoxyphenyl)methyl]hexan-2-amine
CID 43760039
2-[4-[(heptan-2-ylamino)methyl]phenoxy]acetamide
CID 43401602
(2R)-2-N-[(4-butoxyphenyl)methyl]propane-1,2-diamine
CID 113498432
4-methoxy-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 62733175
N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine
CID 43770019
(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610492
N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine
CID 43398775
4-[(heptan-2-ylamino)methyl]aniline
CID 61465619
(2S)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610490
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
4-(4-ethoxyphenyl)-N-ethylbutan-2-amine
CID 43279773

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]hexan-2-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]hexan-2-amine (CID 62197866) is N-[(4-ethoxyphenyl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]hexan-2-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]hexan-2-amine is CCCCC(C)NCc1ccc(OCC)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]hexan-2-amine?
The InChIKey is DIQDDTMEWSEGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-6-7-13(3)16-12-14-8-10-15(11-9-14)17-5-2/h8-11,13,16H,4-7,12H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]hexan-2-amine?
N-[(4-ethoxyphenyl)methyl]hexan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]hexan-2-amine is sourced from PubChem (CID 62197866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).