2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline

C15H26N2O — CID 103959097

IUPAC2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
SMILESCC[C@@H](N)c1ccccc1N(CCOC)C(C)C
InChIInChI=1S/C15H26N2O/c1-5-14(16)13-8-6-7-9-15(13)17(12(2)3)10-11-18-4/h6-9,12,14H,5,10-11,16H2,1-4H3/t14-/m1/s1
InChIKeySRMDXYZDZQFHHU-CQSZACIVSA-N
MW250.39 g/mol
LogP2.96
Rot. Bonds7

About 2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline

2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline (PubChem CID 103959097) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
PubChem CID103959097
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
SMILESCC[C@@H](N)c1ccccc1N(CCOC)C(C)C
InChIInChI=1S/C15H26N2O/c1-5-14(16)13-8-6-7-9-15(13)17(12(2)3)10-11-18-4/h6-9,12,14H,5,10-11,16H2,1-4H3/t14-/m1/s1
InChIKeySRMDXYZDZQFHHU-CQSZACIVSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminopropyl)-N-butan-2-yl-N-(2-methoxyethyl)aniline
CID 112678052
2-(1-aminopropyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)aniline
CID 115995066
(1S)-1-[2-[2-methoxyethyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 103960325
2-[(1S)-1-aminopropyl]-N-pentyl-N-propan-2-ylaniline
CID 103958727
2-(1-aminopropyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 112678005
2-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82951873
(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 103959967
2-(1-aminoethyl)-N-propan-2-yl-N-propylaniline
CID 43269689
2-(1-aminoethyl)-N-ethyl-N-(1-methoxypropan-2-yl)aniline
CID 55010184
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63368929
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82960379

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline?
The IUPAC name of 2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline (CID 103959097) is 2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline.
What is the SMILES notation for 2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline?
The canonical SMILES for 2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline is CC[C@@H](N)c1ccccc1N(CCOC)C(C)C.
What is the InChIKey of 2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline?
The InChIKey is SRMDXYZDZQFHHU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-14(16)13-8-6-7-9-15(13)17(12(2)3)10-11-18-4/h6-9,12,14H,5,10-11,16H2,1-4H3/t14-/m1/s1.
What are the key properties of 2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline?
2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline has a molecular weight of 250.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminopropyl]-N-(2-methoxyethyl)-N-propan-2-ylaniline is sourced from PubChem (CID 103959097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).