N"-[(4-chlorophenyl)methyl]methanetriamine

C8H12ClN3 — CID 143471410

IUPACN"-[(4-chlorophenyl)methyl]methanetriamine
SMILESNC(N)NCc1ccc(Cl)cc1
InChIInChI=1S/C8H12ClN3/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4,8,12H,5,10-11H2
InChIKeyMZZVTWNEAJXXBH-UHFFFAOYSA-N
MW185.66 g/mol
LogP0.63
Rot. Bonds3

About N"-[(4-chlorophenyl)methyl]methanetriamine

N"-[(4-chlorophenyl)methyl]methanetriamine (PubChem CID 143471410) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is N"-[(4-chlorophenyl)methyl]methanetriamine.

Molecular Properties

Compound NameN"-[(4-chlorophenyl)methyl]methanetriamine
PubChem CID143471410
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC NameN"-[(4-chlorophenyl)methyl]methanetriamine
SMILESNC(N)NCc1ccc(Cl)cc1
InChIInChI=1S/C8H12ClN3/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4,8,12H,5,10-11H2
InChIKeyMZZVTWNEAJXXBH-UHFFFAOYSA-N
XLogP0.63
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)methylhydrazine;hydrochloride
CID 3058470
N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine
CID 21355577
1,2-bis[(4-chlorophenyl)methyl]hydrazine;dihydrochloride
CID 20519808
N-[(4-chlorophenyl)methyl]thiohydroxylamine
CID 142862441
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
3-chloro-N-[(4-chlorophenyl)methyl]-1,1,1-trifluoropropan-2-amine
CID 56602011
N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine
CID 43183248
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998
1-N-[(4-chlorophenyl)methyl]butane-1,2-diamine
CID 83960586
N-[(4-chlorophenyl)methyl]hexan-3-amine
CID 62118720
1-(4-chlorophenyl)-N-oxidomethanamine
CID 162516250
(2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide
CID 121266437

Frequently Asked Questions

What is the IUPAC name of N"-[(4-chlorophenyl)methyl]methanetriamine?
The IUPAC name of N"-[(4-chlorophenyl)methyl]methanetriamine (CID 143471410) is N"-[(4-chlorophenyl)methyl]methanetriamine.
What is the SMILES notation for N"-[(4-chlorophenyl)methyl]methanetriamine?
The canonical SMILES for N"-[(4-chlorophenyl)methyl]methanetriamine is NC(N)NCc1ccc(Cl)cc1.
What is the InChIKey of N"-[(4-chlorophenyl)methyl]methanetriamine?
The InChIKey is MZZVTWNEAJXXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4,8,12H,5,10-11H2.
What are the key properties of N"-[(4-chlorophenyl)methyl]methanetriamine?
N"-[(4-chlorophenyl)methyl]methanetriamine has a molecular weight of 185.66 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N"-[(4-chlorophenyl)methyl]methanetriamine is sourced from PubChem (CID 143471410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).