N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine

C16H28N2 — CID 55001809

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1ccccc1CN)C(C)C
InChIInChI=1S/C16H28N2/c1-4-5-8-11-18(14(2)3)13-16-10-7-6-9-15(16)12-17/h6-7,9-10,14H,4-5,8,11-13,17H2,1-3H3
InChIKeyDBXCESSBOGMFFZ-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.55
Rot. Bonds8

About N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine

N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 55001809) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
PubChem CID55001809
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1ccccc1CN)C(C)C
InChIInChI=1S/C16H28N2/c1-4-5-8-11-18(14(2)3)13-16-10-7-6-9-15(16)12-17/h6-7,9-10,14H,4-5,8,11-13,17H2,1-3H3
InChIKeyDBXCESSBOGMFFZ-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.55
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-[[2-(aminomethyl)-3-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55128300
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 114478711
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 55001858
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462162
2-[2-[pentyl(propan-2-yl)amino]ethyl]aniline
CID 55079155
N-[[2-(aminomethyl)phenyl]methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 55001479
bis(N-benzyl-N-propan-2-ylhexadecan-1-amine);hydrobromide;hydrochloride
CID 173037592
N'-[(2-methylphenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 43137393
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 65338517
2-[[propan-2-yl(propyl)amino]methyl]phenol
CID 79038025
4-methyl-2-[[pentyl(propan-2-yl)amino]methyl]phenol
CID 82978818
N-[[2-(aminomethyl)phenyl]methyl]-N-butan-2-ylbutan-2-amine
CID 175214401

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine (CID 55001809) is N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine is CCCCCN(Cc1ccccc1CN)C(C)C.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is DBXCESSBOGMFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-5-8-11-18(14(2)3)13-16-10-7-6-9-15(16)12-17/h6-7,9-10,14H,4-5,8,11-13,17H2,1-3H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine?
N-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 3.55, 8 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-propan-2-ylpentan-1-amine is sourced from PubChem (CID 55001809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).