N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine

C18H32N2 — CID 43770019

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine
SMILESCCCCC(C)NCc1ccc(CN(CC)CC)cc1
InChIInChI=1S/C18H32N2/c1-5-8-9-16(4)19-14-17-10-12-18(13-11-17)15-20(6-2)7-3/h10-13,16,19H,5-9,14-15H2,1-4H3
InChIKeyFKPXEBKUTNTQJN-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.20
Rot. Bonds10

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

N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine (PubChem CID 43770019) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine
PubChem CID43770019
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine
SMILESCCCCC(C)NCc1ccc(CN(CC)CC)cc1
InChIInChI=1S/C18H32N2/c1-5-8-9-16(4)19-14-17-10-12-18(13-11-17)15-20(6-2)7-3/h10-13,16,19H,5-9,14-15H2,1-4H3
InChIKeyFKPXEBKUTNTQJN-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]heptan-4-amine
CID 28550265
N,N-diethyl-4-[(heptan-2-ylamino)methyl]aniline
CID 43398761
N-[(4-methoxyphenyl)methyl]hexan-2-amine
CID 43760039
1-cyclopropyl-N-[[4-(diethylaminomethyl)phenyl]methyl]propan-2-amine
CID 115707907
N-[(4-ethoxyphenyl)methyl]hexan-2-amine
CID 62197866
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
N'-benzyl-N'-ethyl-N-heptan-2-ylethane-1,2-diamine
CID 63502856
4-[(hexan-2-ylamino)methyl]benzene-1,2-diol
CID 62196921
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
N-[(4-imidazol-1-ylphenyl)methyl]hexan-2-amine
CID 62200953

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine (CID 43770019) is N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine is CCCCC(C)NCc1ccc(CN(CC)CC)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine?
The InChIKey is FKPXEBKUTNTQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-8-9-16(4)19-14-17-10-12-18(13-11-17)15-20(6-2)7-3/h10-13,16,19H,5-9,14-15H2,1-4H3.
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine?
N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine has a molecular weight of 276.47 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]hexan-2-amine is sourced from PubChem (CID 43770019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).