N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine

C16H28N2 — CID 175214401

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine
SMILESCCC(C)N(Cc1ccccc1CN)C(C)CC
InChIInChI=1S/C16H28N2/c1-5-13(3)18(14(4)6-2)12-16-10-8-7-9-15(16)11-17/h7-10,13-14H,5-6,11-12,17H2,1-4H3
InChIKeyABCNCCUNRJJRME-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.54
Rot. Bonds7

About N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine

N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine (PubChem CID 175214401) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine
PubChem CID175214401
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine
SMILESCCC(C)N(Cc1ccccc1CN)C(C)CC
InChIInChI=1S/C16H28N2/c1-5-13(3)18(14(4)6-2)12-16-10-8-7-9-15(16)11-17/h7-10,13-14H,5-6,11-12,17H2,1-4H3
InChIKeyABCNCCUNRJJRME-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine
CID 43272646
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
azane;[2-(2-methylpropyl)phenyl]methanamine
CID 174953175
1-[[2-(aminomethyl)phenyl]methyl-ethylamino]propan-2-ol
CID 65278136
N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55001809
N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine
CID 173326782
N-[2-[2-(aminomethyl)phenyl]ethyl]butan-2-amine
CID 81322576
1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide
CID 43274531
N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide
CID 54939690
N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 55004588
N-[[2-(aminomethyl)phenyl]methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 55001479
N-[[2-(aminomethyl)phenyl]methyl]-2,2-difluoro-N-methylethanamine
CID 60922084

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine (CID 175214401) is N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine is CCC(C)N(Cc1ccccc1CN)C(C)CC.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine?
The InChIKey is ABCNCCUNRJJRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-13(3)18(14(4)6-2)12-16-10-8-7-9-15(16)11-17/h7-10,13-14H,5-6,11-12,17H2,1-4H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine?
N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine has a molecular weight of 248.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine is sourced from PubChem (CID 175214401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).