2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol

C16H28N2O — CID 43207997

IUPAC2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol
SMILESCCC(CC)C(CNCc1ccccc1O)N(C)C
InChIInChI=1S/C16H28N2O/c1-5-13(6-2)15(18(3)4)12-17-11-14-9-7-8-10-16(14)19/h7-10,13,15,17,19H,5-6,11-12H2,1-4H3
InChIKeyHBRMXMGUSBVWBV-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.85
Rot. Bonds8

About 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol

2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol (PubChem CID 43207997) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol
PubChem CID43207997
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol
SMILESCCC(CC)C(CNCc1ccccc1O)N(C)C
InChIInChI=1S/C16H28N2O/c1-5-13(6-2)15(18(3)4)12-17-11-14-9-7-8-10-16(14)19/h7-10,13,15,17,19H,5-6,11-12H2,1-4H3
InChIKeyHBRMXMGUSBVWBV-UHFFFAOYSA-N
XLogP2.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43110730
3-ethyl-2-N,2-N-dimethyl-1-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pentane-1,2-diamine
CID 63311575
3-ethyl-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 43105468
3-ethyl-2-N,2-N-dimethyl-1-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 43106207
2-(ethylaminomethyl)phenol
CID 12995218
3-ethyl-2-N,2-N-dimethyl-1-N-[(4-methylsulfanylphenyl)methyl]pentane-1,2-diamine
CID 43100914
3-ethyl-2-N,2-N-dimethyl-1-N-(3-phenylbutyl)pentane-1,2-diamine
CID 63422232
1-N-[(3-bromofuran-2-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 103675307
methyl 3-[(2-hydroxyphenyl)methylamino]-2-methylpropanoate
CID 114332021
3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine
CID 43105129
2-N,2-N-dimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine
CID 115595839
2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol?
The IUPAC name of 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol (CID 43207997) is 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol.
What is the SMILES notation for 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol?
The canonical SMILES for 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol is CCC(CC)C(CNCc1ccccc1O)N(C)C.
What is the InChIKey of 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol?
The InChIKey is HBRMXMGUSBVWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-13(6-2)15(18(3)4)12-17-11-14-9-7-8-10-16(14)19/h7-10,13,15,17,19H,5-6,11-12H2,1-4H3.
What are the key properties of 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol?
2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol has a molecular weight of 264.41 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol is sourced from PubChem (CID 43207997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).