N-[2-[2-(aminomethyl)phenyl]ethyl]butan-2-amine

C13H22N2 — CID 81322576

IUPACN-[2-[2-(aminomethyl)phenyl]ethyl]butan-2-amine
SMILESCCC(C)NCCc1ccccc1CN
InChIInChI=1S/C13H22N2/c1-3-11(2)15-9-8-12-6-4-5-7-13(12)10-14/h4-7,11,15H,3,8-10,14H2,1-2H3
InChIKeyDQQWIIPDAIRGRR-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.08
Rot. Bonds6

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

N-[2-[2-(aminomethyl)phenyl]ethyl]butan-2-amine (PubChem CID 81322576) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)phenyl]ethyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)phenyl]ethyl]butan-2-amine
PubChem CID81322576
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[2-[2-(aminomethyl)phenyl]ethyl]butan-2-amine
SMILESCCC(C)NCCc1ccccc1CN
InChIInChI=1S/C13H22N2/c1-3-11(2)15-9-8-12-6-4-5-7-13(12)10-14/h4-7,11,15H,3,8-10,14H2,1-2H3
InChIKeyDQQWIIPDAIRGRR-UHFFFAOYSA-N
XLogP2.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-methylethanamine
CID 58788115
N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine
CID 175214401
N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine
CID 43272646
N-[2-[2-(aminomethyl)phenyl]ethyl]-N-propan-2-ylpropan-2-amine
CID 173326782
N-[(2-phenylphenyl)methyl]butan-2-amine
CID 165473157
N-[2-[(2-bromophenyl)methoxy]ethyl]butan-2-amine
CID 82825030
(2-heptylphenyl)methanamine
CID 57355618
N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115464510
N-[(2-methylphenyl)methyl]butan-2-amine chloride
CID 19629109
CID 172753617
CID 172753617
N-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine
CID 103568727
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)phenyl]ethyl]butan-2-amine?
The IUPAC name of N-[2-[2-(aminomethyl)phenyl]ethyl]butan-2-amine (CID 81322576) is N-[2-[2-(aminomethyl)phenyl]ethyl]butan-2-amine.
What is the SMILES notation for N-[2-[2-(aminomethyl)phenyl]ethyl]butan-2-amine?
The canonical SMILES for N-[2-[2-(aminomethyl)phenyl]ethyl]butan-2-amine is CCC(C)NCCc1ccccc1CN.
What is the InChIKey of N-[2-[2-(aminomethyl)phenyl]ethyl]butan-2-amine?
The InChIKey is DQQWIIPDAIRGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-11(2)15-9-8-12-6-4-5-7-13(12)10-14/h4-7,11,15H,3,8-10,14H2,1-2H3.
What are the key properties of N-[2-[2-(aminomethyl)phenyl]ethyl]butan-2-amine?
N-[2-[2-(aminomethyl)phenyl]ethyl]butan-2-amine has a molecular weight of 206.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)phenyl]ethyl]butan-2-amine is sourced from PubChem (CID 81322576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).