N-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine

C17H30N2 — CID 104546914

IUPACN-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1ccccc1CCNC
InChIInChI=1S/C17H30N2/c1-4-5-6-9-15(2)19-14-17-11-8-7-10-16(17)12-13-18-3/h7-8,10-11,15,18-19H,4-6,9,12-14H2,1-3H3
InChIKeyFQWGYPASLYUVGS-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.51
Rot. Bonds10

About N-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine

N-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine (PubChem CID 104546914) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine
PubChem CID104546914
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1ccccc1CCNC
InChIInChI=1S/C17H30N2/c1-4-5-6-9-15(2)19-14-17-11-8-7-10-16(17)12-13-18-3/h7-8,10-11,15,18-19H,4-6,9,12-14H2,1-3H3
InChIKeyFQWGYPASLYUVGS-UHFFFAOYSA-N
XLogP3.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]nonan-2-amine
CID 43129766
(2R)-N-(naphthalen-1-ylmethyl)octan-2-amine
CID 7322198
(2R)-N-benzylheptan-2-amine
CID 14923313
N-[[2-(trifluoromethyl)phenyl]methyl]octan-2-amine
CID 43220747
N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine
CID 43220661
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
2-[(heptan-2-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77031931
4-[(heptan-2-ylamino)methyl]benzene-1,3-diol
CID 43572707
N-(1-benzofuran-3-ylmethyl)octan-2-amine
CID 80700860
2-[(6-methylheptan-2-ylamino)methyl]phenol
CID 43102859
2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
CID 104546902
4-[(heptan-2-ylamino)methyl]benzene-1,2,3-triol
CID 103953106

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine?
The IUPAC name of N-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine (CID 104546914) is N-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine.
What is the SMILES notation for N-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine?
The canonical SMILES for N-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine is CCCCCC(C)NCc1ccccc1CCNC.
What is the InChIKey of N-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine?
The InChIKey is FQWGYPASLYUVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-5-6-9-15(2)19-14-17-11-8-7-10-16(17)12-13-18-3/h7-8,10-11,15,18-19H,4-6,9,12-14H2,1-3H3.
What are the key properties of N-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine?
N-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine has a molecular weight of 262.44 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine is sourced from PubChem (CID 104546914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).