N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine

C17H30N2O — CID 43588461

IUPACN-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(CCOc1ccccc1CN)CC(C)C
InChIInChI=1S/C17H30N2O/c1-14(2)12-19(13-15(3)4)9-10-20-17-8-6-5-7-16(17)11-18/h5-8,14-15H,9-13,18H2,1-4H3
InChIKeyGNFBCCZXTCRXIT-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.14
Rot. Bonds9

About N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine

N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 43588461) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID43588461
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CN(CCOc1ccccc1CN)CC(C)C
InChIInChI=1S/C17H30N2O/c1-14(2)12-19(13-15(3)4)9-10-20-17-8-6-5-7-16(17)11-18/h5-8,14-15H,9-13,18H2,1-4H3
InChIKeyGNFBCCZXTCRXIT-UHFFFAOYSA-N
XLogP3.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-ethylethanamine
CID 63696644
N'-[2-[2-(aminomethyl)phenoxy]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63695677
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164
[2-[2-(4-methylpentan-2-yloxy)ethoxy]phenyl]methanamine
CID 43254260
1-[2-[2-(aminomethyl)phenoxy]ethyl-methylamino]-3-methoxypropan-2-ol
CID 54993616
N-[2-[2-(aminomethyl)phenoxy]ethyl]-N-(cyclopropylmethyl)propan-1-amine
CID 43478990
2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline
CID 107869353
1-(bromomethyl)-2-(3-methylbutoxy)benzene
CID 43141565
2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine
CID 61416325
2-[2-(aminomethyl)phenoxy]-N-[(2-fluorophenyl)methyl]-N-methylethanamine
CID 43575739
2-[2-[bis(2-methylpropyl)amino]ethyl]aniline
CID 62495732

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 43588461) is N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine is CC(C)CN(CCOc1ccccc1CN)CC(C)C.
What is the InChIKey of N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is GNFBCCZXTCRXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14(2)12-19(13-15(3)4)9-10-20-17-8-6-5-7-16(17)11-18/h5-8,14-15H,9-13,18H2,1-4H3.
What are the key properties of N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(aminomethyl)phenoxy]ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 43588461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).