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

C17H29NO — CID 43220759

IUPACN-[(4-ethoxyphenyl)methyl]octan-2-amine
SMILESCCCCCCC(C)NCc1ccc(OCC)cc1
InChIInChI=1S/C17H29NO/c1-4-6-7-8-9-15(3)18-14-16-10-12-17(13-11-16)19-5-2/h10-13,15,18H,4-9,14H2,1-3H3
InChIKeyRYPCMJOLDZVGBD-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.53
Rot. Bonds10

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

N-[(4-ethoxyphenyl)methyl]octan-2-amine (PubChem CID 43220759) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]octan-2-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]octan-2-amine
PubChem CID43220759
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-[(4-ethoxyphenyl)methyl]octan-2-amine
SMILESCCCCCCC(C)NCc1ccc(OCC)cc1
InChIInChI=1S/C17H29NO/c1-4-6-7-8-9-15(3)18-14-16-10-12-17(13-11-16)19-5-2/h10-13,15,18H,4-9,14H2,1-3H3
InChIKeyRYPCMJOLDZVGBD-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxyphenyl)methyl]hexan-2-amine
CID 62197866
2-[4-[(heptan-2-ylamino)methyl]phenoxy]acetamide
CID 43401602
N-[(4-methoxyphenyl)methyl]hexan-2-amine
CID 43760039
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
4-[(heptan-2-ylamino)methyl]aniline
CID 61465619
N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine
CID 43398775
(2R)-N-benzylheptan-2-amine
CID 14923313
(2R)-2-N-[(4-butoxyphenyl)methyl]propane-1,2-diamine
CID 113498432
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
N,N-diethyl-4-[(heptan-2-ylamino)methyl]aniline
CID 43398761
N-[(3,4-dimethoxyphenyl)methyl]octan-2-amine
CID 43085029
N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291090

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]octan-2-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]octan-2-amine (CID 43220759) is N-[(4-ethoxyphenyl)methyl]octan-2-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]octan-2-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]octan-2-amine is CCCCCCC(C)NCc1ccc(OCC)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]octan-2-amine?
The InChIKey is RYPCMJOLDZVGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-6-7-8-9-15(3)18-14-16-10-12-17(13-11-16)19-5-2/h10-13,15,18H,4-9,14H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]octan-2-amine?
N-[(4-ethoxyphenyl)methyl]octan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]octan-2-amine is sourced from PubChem (CID 43220759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).